6-tert-butyl-2-[3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-1-yl]imidazo[2,1-b][1,3,4]thiadiazole

C17H20F3N5S2 — CID 133387898

IUPAC6-tert-butyl-2-[3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-1-yl]imidazo[2,1-b][1,3,4]thiadiazole
SMILESCC(C)(C)c1cn2nc(N3CCCC(c4nc(C(F)(F)F)cs4)C3)sc2n1
InChIInChI=1S/C17H20F3N5S2/c1-16(2,3)11-8-25-14(22-11)27-15(23-25)24-6-4-5-10(7-24)13-21-12(9-26-13)17(18,19)20/h8-10H,4-7H2,1-3H3
InChIKeyMTOWZTWUKLOUCV-UHFFFAOYSA-N
MW415.51 g/mol
LogP4.95
Rot. Bonds2

About 6-tert-butyl-2-[3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-1-yl]imidazo[2,1-b][1,3,4]thiadiazole

6-tert-butyl-2-[3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-1-yl]imidazo[2,1-b][1,3,4]thiadiazole (PubChem CID 133387898) has the molecular formula C17H20F3N5S2 and a molecular weight of 415.51 g/mol. Its IUPAC name is 6-tert-butyl-2-[3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-1-yl]imidazo[2,1-b][1,3,4]thiadiazole.

Molecular Properties

Compound Name6-tert-butyl-2-[3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-1-yl]imidazo[2,1-b][1,3,4]thiadiazole
PubChem CID133387898
Molecular FormulaC17H20F3N5S2
Molecular Weight415.51 g/mol
Exact Mass415.11
IUPAC Name6-tert-butyl-2-[3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-1-yl]imidazo[2,1-b][1,3,4]thiadiazole
SMILESCC(C)(C)c1cn2nc(N3CCCC(c4nc(C(F)(F)F)cs4)C3)sc2n1
InChIInChI=1S/C17H20F3N5S2/c1-16(2,3)11-8-25-14(22-11)27-15(23-25)24-6-4-5-10(7-24)13-21-12(9-26-13)17(18,19)20/h8-10H,4-7H2,1-3H3
InChIKeyMTOWZTWUKLOUCV-UHFFFAOYSA-N
XLogP4.95
TPSA46.32 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.51
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-2-[3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-1-yl]imidazo[2,1-b][1,3,4]thiadiazole?
The IUPAC name of 6-tert-butyl-2-[3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-1-yl]imidazo[2,1-b][1,3,4]thiadiazole (CID 133387898) is 6-tert-butyl-2-[3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-1-yl]imidazo[2,1-b][1,3,4]thiadiazole.
What is the SMILES notation for 6-tert-butyl-2-[3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-1-yl]imidazo[2,1-b][1,3,4]thiadiazole?
The canonical SMILES for 6-tert-butyl-2-[3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-1-yl]imidazo[2,1-b][1,3,4]thiadiazole is CC(C)(C)c1cn2nc(N3CCCC(c4nc(C(F)(F)F)cs4)C3)sc2n1.
What is the InChIKey of 6-tert-butyl-2-[3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-1-yl]imidazo[2,1-b][1,3,4]thiadiazole?
The InChIKey is MTOWZTWUKLOUCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F3N5S2/c1-16(2,3)11-8-25-14(22-11)27-15(23-25)24-6-4-5-10(7-24)13-21-12(9-26-13)17(18,19)20/h8-10H,4-7H2,1-3H3.
What are the key properties of 6-tert-butyl-2-[3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-1-yl]imidazo[2,1-b][1,3,4]thiadiazole?
6-tert-butyl-2-[3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-1-yl]imidazo[2,1-b][1,3,4]thiadiazole has a molecular weight of 415.51 g/mol, XLogP of 4.95, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-2-[3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-1-yl]imidazo[2,1-b][1,3,4]thiadiazole is sourced from PubChem (CID 133387898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).